canSAR2098877
FEATURES
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NAMES
    SMILES
    C=C(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C1CSC(C)C2NC(=O)C(C(C)CC)NC(=O)C(NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc3ccccc3)NC(=O)C3CSC(C)C(NC(=O)C(NC(=O)C4CSC(C)C(NC(=O)C5CSCC(NC(=O)C(CCCCN)NC(=O)C(N)Cc6c[nH]c7ccccc67)C(=O)NC(CCC(=O)O)C(=O)NC(=C)C(=O)NC(C(C)C)C(=O)N5)C(=O)N5CCCC5C(=O)NCC(=O)N4)C(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)N/C(=C\C)C(=O)N3)C(C)SCC(NC2=O)C(=O)NC(CC(N)=O)C(=O)N1)C(C)CC)C(=O)NC(CCCCN)C(=O)O
    InChI
    InChI=1S/C150H231N39O38S5/c1-22-75(14)115(145(221)162-77(16)121(197)171-94(150(226)227)43-32-35-53-153)183-128(204)90(42-31-34-52-152)167-136(212)103-67-230-80(19)118-147(223)180-105(138(214)175-99(60-109(157)192)134(210)178-103)69-231-81(20)119(148(224)184-116(76(15)23-2)146(222)187-118)185-129(205)92(46-49-108(156)191)169-132(208)97(57-72(8)9)173-133(209)98(58-83-37-26-25-27-38-83)174-137(213)104-68-229-79(18)117(142(218)160-63-110(193)163-95(55-70(4)5)130(206)172-96(56-71(6)7)131(207)168-91(45-48-107(155)190)127(203)165-87(24-3)124(200)177-104)186-144(220)114(74(12)13)182-140(216)102-66-232-82(21)120(149(225)189-54-36-44-106(189)141(217)159-62-111(194)164-102)188-139(215)101-65-228-64-100(135(211)170-93(47-50-112(195)196)125(201)161-78(17)122(198)181-113(73(10)11)143(219)179-101)176-126(202)89(41-30-33-51-151)166-123(199)86(154)59-84-61-158-88-40-29-28-39-85(84)88/h24-29,37-40,61,70-76,79-82,86,89-106,113-120,158H,16-17,22-23,30-36,41-60,62-69,151-154H2,1-15,18-21H3,(H2,155,190)(H2,156,191)(H2,157,192)(H,159,217)(H,160,218)(H,161,201)(H,162,221)(H,163,193)(H,164,194)(H,165,203)(H,166,199)(H,167,212)(H,168,207)(H,169,208)(H,170,211)(H,171,197)(H,172,206)(H,173,209)(H,174,213)(H,175,214)(H,176,202)(H,177,200)(H,178,210)(H,179,219)(H,180,223)(H,181,198)(H,182,216)(H,183,204)(H,184,224)(H,185,205)(H,186,220)(H,187,222)(H,188,215)(H,195,196)(H,226,227)/b87-24-/t75-,76-,79?,80?,81?,82?,86-,89-,90-,91-,92-,93-,94?,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114?,115-,116-,117?,118?,119?,120?/m0/s1
    MOLECULAR FORMULA
    C150H231N39O38S5
    CROSS REFERENCES
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    canSAR2098877
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3346.59
    AlogP-8.52
    HBond donors47
    HBond acceptors77
    Atoms463
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2098877.